N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine

C21H19F2N5 — CID 45175329

IUPACN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCC(NCc1cn[nH]c1-c1ccc(F)cc1F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H19F2N5/c1-14(16-12-26-28(13-16)18-5-3-2-4-6-18)24-10-15-11-25-27-21(15)19-8-7-17(22)9-20(19)23/h2-9,11-14,24H,10H2,1H3,(H,25,27)
InChIKeyWLOYCHJRWBPMNG-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.39
Rot. Bonds6

About N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 45175329) has the molecular formula C21H19F2N5 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID45175329
Molecular FormulaC21H19F2N5
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCC(NCc1cn[nH]c1-c1ccc(F)cc1F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H19F2N5/c1-14(16-12-26-28(13-16)18-5-3-2-4-6-18)24-10-15-11-25-27-21(15)19-8-7-17(22)9-20(19)23/h2-9,11-14,24H,10H2,1H3,(H,25,27)
InChIKeyWLOYCHJRWBPMNG-UHFFFAOYSA-N
XLogP4.39
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1-phenylpyrazole
CID 136044103
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
4-(3-(4-fluorophenyl)-5-(piperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037206
4-(3-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037479
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037660

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine (CID 45175329) is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine is CC(NCc1cn[nH]c1-c1ccc(F)cc1F)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is WLOYCHJRWBPMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5/c1-14(16-12-26-28(13-16)18-5-3-2-4-6-18)24-10-15-11-25-27-21(15)19-8-7-17(22)9-20(19)23/h2-9,11-14,24H,10H2,1H3,(H,25,27).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 379.41 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 45175329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).